N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide

C11H12N4O2 — CID 126648400

IUPACN-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(n2ccnc2)C1)c1ccon1
InChIInChI=1S/C11H12N4O2/c16-11(10-1-4-17-14-10)13-8-5-9(6-8)15-3-2-12-7-15/h1-4,7-9H,5-6H2,(H,13,16)
InChIKeyWTEAFPFNNKKOIF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.00
Rot. Bonds3

About N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide

N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide (PubChem CID 126648400) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide
PubChem CID126648400
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(n2ccnc2)C1)c1ccon1
InChIInChI=1S/C11H12N4O2/c16-11(10-1-4-17-14-10)13-8-5-9(6-8)15-3-2-12-7-15/h1-4,7-9H,5-6H2,(H,13,16)
InChIKeyWTEAFPFNNKKOIF-UHFFFAOYSA-N
XLogP1.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 62378974
N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120600756
2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004037
N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide
CID 56884764
N-(2-imidazol-1-yloxan-4-yl)pyrazine-2-carboxamide
CID 166095167
N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide
CID 114312088
2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004809
3-imidazol-1-ylcyclobutan-1-ol
CID 131068227
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135903
N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide
CID 166311393
N-(5-cyclopropyl-5-methyl-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 153469934

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide (CID 126648400) is N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide is O=C(NC1CC(n2ccnc2)C1)c1ccon1.
What is the InChIKey of N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WTEAFPFNNKKOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(10-1-4-17-14-10)13-8-5-9(6-8)15-3-2-12-7-15/h1-4,7-9H,5-6H2,(H,13,16).
What are the key properties of N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylcyclobutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126648400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).